10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]

C111H65N7OS — CID 134353480

IUPAC10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5Oc5cc6c7ccccc7n(-c7ccc(-c8cccc9ccccc89)cc7)c6cc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Sc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)c3)n2)cc1
InChIInChI=1S/C111H65N7OS/c1-2-26-68(27-3-1)107-112-108(114-109(113-107)72-31-21-32-74(62-72)116-94-47-14-6-35-78(94)82-58-59-91-106(105(82)116)120-102-52-19-12-43-88(102)111(91)86-41-10-17-50-98(86)117-95-48-15-7-34-77(95)80-38-23-45-90(111)103(80)117)71-30-20-29-69(61-71)70-55-60-96-83(63-70)81-39-24-44-89-104(81)118(96)97-49-16-9-40-85(97)110(89)87-42-11-18-51-100(87)119-101-64-84-79-36-8-13-46-93(79)115(99(84)65-92(101)110)73-56-53-67(54-57-73)76-37-22-28-66-25-4-5-33-75(66)76/h1-65H
InChIKeyOPVYLHUZOKYXPC-UHFFFAOYSA-N
MW1544.86 g/mol
LogP27.71
Rot. Bonds7

About 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]

10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene] (PubChem CID 134353480) has the molecular formula C111H65N7OS and a molecular weight of 1544.86 g/mol. Its IUPAC name is 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene].

Molecular Properties

Compound Name10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
PubChem CID134353480
Molecular FormulaC111H65N7OS
Molecular Weight1544.86 g/mol
Exact Mass1543.50
IUPAC Name10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5Oc5cc6c7ccccc7n(-c7ccc(-c8cccc9ccccc89)cc7)c6cc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Sc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)c3)n2)cc1
InChIInChI=1S/C111H65N7OS/c1-2-26-68(27-3-1)107-112-108(114-109(113-107)72-31-21-32-74(62-72)116-94-47-14-6-35-78(94)82-58-59-91-106(105(82)116)120-102-52-19-12-43-88(102)111(91)86-41-10-17-50-98(86)117-95-48-15-7-34-77(95)80-38-23-45-90(111)103(80)117)71-30-20-29-69(61-71)70-55-60-96-83(63-70)81-39-24-44-89-104(81)118(96)97-49-16-9-40-85(97)110(89)87-42-11-18-51-100(87)119-101-64-84-79-36-8-13-46-93(79)115(99(84)65-92(101)110)73-56-53-67(54-57-73)76-37-22-28-66-25-4-5-33-75(66)76/h1-65H
InChIKeyOPVYLHUZOKYXPC-UHFFFAOYSA-N
XLogP27.71
TPSA67.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001544.86
LogP ≤ 527.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]?
The IUPAC name of 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene] (CID 134353480) is 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene].
What is the SMILES notation for 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]?
The canonical SMILES for 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene] is c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C64c5ccccc5Oc5cc6c7ccccc7n(-c7ccc(-c8cccc9ccccc89)cc7)c6cc54)c3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Sc4ccccc4C64c5ccccc5-n5c6ccccc6c6cccc4c65)c3)n2)cc1.
What is the InChIKey of 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]?
The InChIKey is OPVYLHUZOKYXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C111H65N7OS/c1-2-26-68(27-3-1)107-112-108(114-109(113-107)72-31-21-32-74(62-72)116-94-47-14-6-35-78(94)82-58-59-91-106(105(82)116)120-102-52-19-12-43-88(102)111(91)86-41-10-17-50-98(86)117-95-48-15-7-34-77(95)80-38-23-45-90(111)103(80)117)71-30-20-29-69(61-71)70-55-60-96-83(63-70)81-39-24-44-89-104(81)118(96)97-49-16-9-40-85(97)110(89)87-42-11-18-51-100(87)119-101-64-84-79-36-8-13-46-93(79)115(99(84)65-92(101)110)73-56-53-67(54-57-73)76-37-22-28-66-25-4-5-33-75(66)76/h1-65H.
What are the key properties of 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]?
10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene] has a molecular weight of 1544.86 g/mol, XLogP of 27.71, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(4-naphthalen-1-ylphenyl)-5-[3-[4-phenyl-6-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole]-13'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene] is sourced from PubChem (CID 134353480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).